| SpectraBase Spectrum ID |
KIHQR0Db12q |
| Name |
Diethyl (Z)-3-(1-(benzyloxy)-3-oxopropan-2-ylidene)-4-methylcyclopentane-1,1-dicarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.188588616 u |
| Formula |
C22H28O6 |
| InChI |
InChI=1S/C22H28O6/c1-4-27-20(24)22(21(25)28-5-2)11-16(3)19(12-22)18(13-23)15-26-14-17-9-7-6-8-10-17/h6-10,13,16H,4-5,11-12,14-15H2,1-3H3/b19-18+ |
| InChIKey |
OJTQITJRRVIJPO-VHEBQXMUSA-N |
| Instrument Name |
JEOL JMS-700 MStation or JMS-Q1000TD TLC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202201241 |
| Molecular Weight |
388.460 g/mol |
| Optical Rotation |
[a]D29 = +6.36 (c = 1.00, CHCl3) |
| Quality |
201 |
| Reported Formula |
C22H28O6 |
| SMILES |
C(C)OC(=O)C1(C\C(C(C1)C)=C/(COCC1=CC=CC=C1)C=O)C(=O)OCC |
| SPLASH |
splash10-0bu3-5790000000-6cf2f156fc0066accbb6 |
| Sample Comments |
80% ee |
| Source of Spectrum |
CAJ-18-SM14-2j (DOI: 10.1002/asia.202201241) |
| Thin-Layer Chromatography |
0.20 (n-hexane/AcOEt, 5:1) |
| Wiley ID |
1901132 |
